CID 3980642

3-pyrrolidin-2-yl-quinoline

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1CC(NC1)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2

InChIKey

QETHIJNTMQASAU-UHFFFAOYSA-N

Compound name

3-pyrrolidin-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.11569 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.12297	144.9
[M+Na]+	221.10491	158.6
[M+NH4]+	216.14951	154.7
[M+K]+	237.07885	152.3
[M-H]-	197.10841	148.8
[M+Na-2H]-	219.09036	152.9
[M]+	198.11514	147.9
[M]-	198.11624	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.